1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine

C14H19N3OS — CID 64628170

IUPAC1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
SMILESCCOc1ccccc1C(N)CSc1cnn(C)c1
InChIInChI=1S/C14H19N3OS/c1-3-18-14-7-5-4-6-12(14)13(15)10-19-11-8-16-17(2)9-11/h4-9,13H,3,10,15H2,1-2H3
InChIKeyXHMXQRRSQUMRFY-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.61
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine

1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine (PubChem CID 64628170) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
PubChem CID64628170
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
SMILESCCOc1ccccc1C(N)CSc1cnn(C)c1
InChIInChI=1S/C14H19N3OS/c1-3-18-14-7-5-4-6-12(14)13(15)10-19-11-8-16-17(2)9-11/h4-9,13H,3,10,15H2,1-2H3
InChIKeyXHMXQRRSQUMRFY-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64625808
1-(2-ethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64648545
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
[2-[3-(1-methylpyrazol-4-yl)sulfanylpropoxy]phenyl]methanamine
CID 61385307
3-[2-amino-2-(2-methoxyphenyl)ethyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107784548
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine (CID 64628170) is 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine is CCOc1ccccc1C(N)CSc1cnn(C)c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The InChIKey is XHMXQRRSQUMRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-18-14-7-5-4-6-12(14)13(15)10-19-11-8-16-17(2)9-11/h4-9,13H,3,10,15H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine is sourced from PubChem (CID 64628170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).